SCHEMBL6543097

SCHEMBL6543097

Cc1cc(O)ccc1Oc1ccc(N)c(N(C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.33
AR P10275 1/20 0.33
ABL1 P00519 2/20 0.32
HSP90AA1 P07900 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
HDAC3 O15379 1/20 0.30
BRAF P15056 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28786462 0.89 CARM1 (0.37) ABL1
SCHEMBL6544813 0.88 ALDH1A1 (0.39) HSP90AA1PDK1PDK2PDK3PDK4
SCHEMBL6544202 0.87 ABL1 (0.32) ABL1
SCHEMBL27782470 0.86 HPGD (0.39) AR
SCHEMBL6544374 0.86 PARP10 (0.38) HDAC3BRAFHDAC4HDAC1HDAC7
SCHEMBL6544812 0.84 ESRRA (0.33) ABL1
SCHEMBL6543619 0.84 HDAC3 (0.39) HDAC3BRAFHDAC4HDAC1HDAC7
SCHEMBL6543706 0.83 ALDH1A1 (0.36)
SCHEMBL6700998 0.83 HTR6 (0.36) ABL1HSP90AA1PDK1PDK2PDK3
SCHEMBL6544878 0.83 PARP10 (0.35) ABL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 EP disclosed
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 US disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 EP disclosed